3,3-dimethyl-N-(2-propoxyethyl)cyclopentan-1-amine

C12H25NO — CID 106452627

IUPAC3,3-dimethyl-N-(2-propoxyethyl)cyclopentan-1-amine
SMILESCCCOCCNC1CCC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-4-8-14-9-7-13-11-5-6-12(2,3)10-11/h11,13H,4-10H2,1-3H3
InChIKeyVIFWVBACAVMJGP-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About 3,3-dimethyl-N-(2-propoxyethyl)cyclopentan-1-amine

3,3-dimethyl-N-(2-propoxyethyl)cyclopentan-1-amine (PubChem CID 106452627) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-propoxyethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-propoxyethyl)cyclopentan-1-amine
PubChem CID106452627
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3,3-dimethyl-N-(2-propoxyethyl)cyclopentan-1-amine
SMILESCCCOCCNC1CCC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-4-8-14-9-7-13-11-5-6-12(2,3)10-11/h11,13H,4-10H2,1-3H3
InChIKeyVIFWVBACAVMJGP-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
CID 64501211
N-(2-methoxyethyl)-2-methylcyclopentan-1-amine
CID 63278202
N-[2-(2-methoxyethoxy)ethyl]-2,4,4-trimethylcyclopentan-1-amine
CID 121518187
N-[(1-methylcyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63822949
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 64500092
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 64500093
N-[(1-methylcyclopentyl)methyl]-2-(trifluoromethoxy)ethanamine
CID 65805404
2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 79857877
2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]cyclopentan-1-amine
CID 79861769
3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 80705224
N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine
CID 103081083
N-[2-(2,2-difluoroethoxy)ethyl]-3-ethylcyclopentan-1-amine
CID 103081192

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-propoxyethyl)cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(2-propoxyethyl)cyclopentan-1-amine (CID 106452627) is 3,3-dimethyl-N-(2-propoxyethyl)cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2-propoxyethyl)cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(2-propoxyethyl)cyclopentan-1-amine is CCCOCCNC1CCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-N-(2-propoxyethyl)cyclopentan-1-amine?
The InChIKey is VIFWVBACAVMJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-8-14-9-7-13-11-5-6-12(2,3)10-11/h11,13H,4-10H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-(2-propoxyethyl)cyclopentan-1-amine?
3,3-dimethyl-N-(2-propoxyethyl)cyclopentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-propoxyethyl)cyclopentan-1-amine is sourced from PubChem (CID 106452627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).